1.0 2010-04-08 22:06:16 UTC 2025-11-18 22:56:36 UTC FDB004515 Hexenoic acid Hexenoic acid, also known as a,b-hexenoate or alpha,beta-hexenoic acid, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Hexenoic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Hexenoic acid can be found in tea, which makes hexenoic acid a potential biomarker for the consumption of this food product. C6H10O2 114.144 114.068079562 hex-2-enoic acid 2-hexenoic acid CCCC=CC(O)=O InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8) NIONDZDPPYHYKY-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid hexenoic acid logp 1.80 ALOGPS logs -1.27 ALOGPS solubility 6.16e+00 g/l ALOGPS logp 1.81 ChemAxon pka_strongest_acidic 5.13 ChemAxon iupac hex-2-enoic acid ChemAxon average_mass 114.144 ChemAxon mono_mass 114.068079562 ChemAxon smiles CCCC=CC(O)=O ChemAxon formula C6H10O2 ChemAxon inchi InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8) ChemAxon inchikey NIONDZDPPYHYKY-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 32.17 ChemAxon polarizability 12.35 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73194 Specdb::MsMs 73195 Specdb::MsMs 73196 Specdb::MsMs 132303 Specdb::MsMs 132304 Specdb::MsMs 132305 Specdb::MsMs 3600590 Specdb::MsMs 3600591 Specdb::MsMs 3600592 Specdb::MsMs 3600593 Specdb::MsMs 3600594 Specdb::MsMs 3600595 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442